1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one

C10H19FO2 — CID 167364811

IUPAC1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
SMILESCC(C)(C)OC(F)C(=O)C(C)(C)C
InChIInChI=1S/C10H19FO2/c1-9(2,3)7(12)8(11)13-10(4,5)6/h8H,1-6H3
InChIKeyPCEIVZCUBVSBTD-UHFFFAOYSA-N
MW190.26 g/mol
LogP2.71
Rot. Bonds2

About 1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one

1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one (PubChem CID 167364811) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one.

Molecular Properties

Compound Name1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
PubChem CID167364811
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
SMILESCC(C)(C)OC(F)C(=O)C(C)(C)C
InChIInChI=1S/C10H19FO2/c1-9(2,3)7(12)8(11)13-10(4,5)6/h8H,1-6H3
InChIKeyPCEIVZCUBVSBTD-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-1-(2-methylpropoxy)butan-2-one
CID 43798763
2-(2-Fluoroethoxy)-2,4-dimethylpentan-3-one
CID 89692039
3-(2-Fluoroethoxy)-3-methylbutan-2-one
CID 89701301
Ethane;3-methyl-3-(2,2,2-trifluoroethoxy)butan-2-one
CID 145610197
1,1,1-Trifluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one
CID 166833994
1,1,1-Trifluoro-4,4-dimethyl-2-propan-2-yloxypentan-3-one
CID 169651957
3-(3,3-Dimethylpentoxy)-1,1,1-trifluoro-3-methylpentan-2-one
CID 170368055
2-(3,3-Dimethylbutoxy)-2-methylpropanoyl fluoride
CID 174294166
3,3-Dimethyl-1-(2,2,2-trifluoroethoxy)butan-2-one
CID 43799493
3,3-Dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-one
CID 43801008
3,3-Dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-one
CID 66277203
1-(2,2-Difluoroethoxy)-3,3-dimethylbutan-2-one
CID 82007396

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
The IUPAC name of 1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one (CID 167364811) is 1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one.
What is the SMILES notation for 1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
The canonical SMILES for 1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one is CC(C)(C)OC(F)C(=O)C(C)(C)C.
What is the InChIKey of 1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
The InChIKey is PCEIVZCUBVSBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2/c1-9(2,3)7(12)8(11)13-10(4,5)6/h8H,1-6H3.
What are the key properties of 1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one has a molecular weight of 190.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one is sourced from PubChem (CID 167364811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).